From 7522b886602380764ce76f1d2244fad11bd1054f Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 08 Mar 2019 19:56:03 +0000 Subject: [PATCH] Full write of constant volume plugin --- src/tape | 11 ++++++++--- 1 files changed, 8 insertions(+), 3 deletions(-) diff --git a/src/tape b/src/tape index 9d7363b..42e22ea 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,9 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 0 +pswitch = 1 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=10.0 +pressure=-10.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=0 @@ -22,6 +22,11 @@ #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) constareaswitch=0 + + +#Stretching +stretchswitch=1 +xkA0=1.0 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle @@ -56,7 +61,7 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=2000 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 inititer=0 -- Gitblit v1.9.3